• Formula : GaAs
  • Space Group : Pm2m (25)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 2.482
    b = 4.83
    c = 2.618
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 18
  • Band gap = 0.0 eV
    Direct Gap = 0.019 eV
    Metallicity = 0.600
    Topological Z2 indices ν = (0;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 43951

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes